pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.30000019073486	QSARToolbox	1	0	NC(=O)C12CC[NH+](CC1)CC2	NC(=O)C12CCN(CC1)CC2	mol24546	NC(=O)C12CCN(CC1)CC2
9.405	AttenGpKa training set	1	0	NC(=O)C12CC[NH+](CC1)CC2	NC(=O)C12CCN(CC1)CC2	mol24546	NC(=O)C12CCN(CC1)CC2